SCHEMBL6617068

SCHEMBL6617068

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ ACKR3 P25106 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6620229 0.94 PPARG (0.42) PKMTP53MAPTGRM4RAB9A
SCHEMBL6617337 0.94 CNR1 (0.39) PKMACKR3PTGESGAATP53
SCHEMBL6619198 0.92 CRACR2A (0.44) PTGESGAATP53MAPTSMN1; SMN2
SCHEMBL6621042 0.92 ACKR3 (0.40) PKMACKR3GAAHSD11B1LMNA
SCHEMBL6603129 0.92 TP53 (0.41) PKMACKR3PTGESGAATP53
SCHEMBL6617727 0.90 GNRHR (0.39) PKMACKR3GAALMNAMAPT
SCHEMBL6617708 0.90 ACKR3 (0.41) ACKR3LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL6618795 0.90 HRH3 (0.40) PKMACKR3PTGESTP53HSD11B1
SCHEMBL6618455 0.89 LMNA (0.39) ACKR3GAALMNAMAPTGRM4
SCHEMBL6619848 0.89 PPARG (0.42) PKMACKR3MAPTNR2E3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
Send feedback